trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate

C16H40O5Si4 — CID 528672

IUPACtrimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H40O5Si4/c1-22(2,3)18-13-14(19-23(4,5)6)15(20-24(7,8)9)16(17)21-25(10,11)12/h14-15H,13H2,1-12H3
InChIKeyIEXXQBIANMZJJP-UHFFFAOYSA-N
MW424.84 g/mol
LogP4.66
Rot. Bonds10

About trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate

trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate (PubChem CID 528672) has the molecular formula C16H40O5Si4 and a molecular weight of 424.84 g/mol. Its IUPAC name is trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate
PubChem CID528672
Molecular FormulaC16H40O5Si4
Molecular Weight424.84 g/mol
Exact Mass424.20
IUPAC Nametrimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H40O5Si4/c1-22(2,3)18-13-14(19-23(4,5)6)15(20-24(7,8)9)16(17)21-25(10,11)12/h14-15H,13H2,1-12H3
InChIKeyIEXXQBIANMZJJP-UHFFFAOYSA-N
XLogP4.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl 2-[(trimethylsilyl)oxy]succinate
CID 552624
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
3,4-Bis-[(tms)oxy]butanoic acid
CID 87627564
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
Glyceric acid tris-TMS
CID 520886
Erythraric acid, TMS
CID 523397
Bis[tert-butyl(dimethyl)silyl] 2-([tert-butyl(dimethyl)silyl]oxy)succinate
CID 528581
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639
Trimethylsilyl 2,4-bis[(trimethylsilyl)oxy]butanoate
CID 528646

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate?
The IUPAC name of trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate (CID 528672) is trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate.
What is the SMILES notation for trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate?
The canonical SMILES for trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate is C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate?
The InChIKey is IEXXQBIANMZJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O5Si4/c1-22(2,3)18-13-14(19-23(4,5)6)15(20-24(7,8)9)16(17)21-25(10,11)12/h14-15H,13H2,1-12H3.
What are the key properties of trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate?
trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate has a molecular weight of 424.84 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3,4-tris(trimethylsilyloxy)butanoate is sourced from PubChem (CID 528672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).